N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 661744
• Molecular Formular: C19H31N5O2
• Molecular Mass: 361.48174
• Monoisotopic Mass: 361.24777526
• SMILES: n12nc(cc1CNCC2)CCC(=O)NC1CCN(CC2OCCC2)CC1
• Canonical SMILES: O=C(NC1CCN(CC1)CC1CCCO1)CCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C19H31N5O2/c25-19(4-3-16-12-17-13-20-7-10-24(17)22-16)21-15-5-8-23(9-6-15)14-18-2-1-11-26-18/h12,15,18,20H,1-11,13-14H2,(H,21,25)
• InChIKey: OCNKPHIFFOICTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-[1-(tetrahydro-2-furanylmethyl)-4-piperidinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.6139965
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -5.5239525
• LogD (pH = 7.4): -2.1142156
• Log P: -0.4737076
• Molar Refractivity: 112.0274 cm^3
• Polarizability: 39.292343 Å^3
• Polar Surface Area: 71.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.23
• LOG S: -2.1
• Polar Surface Area: 71.42 Å^2
• Rotatable Bonds: 6